2-benzylsulfanyl-6-chloropyrazine

C11H9ClN2S — CID 43213383

IUPAC2-benzylsulfanyl-6-chloropyrazine
SMILESClc1cncc(SCc2ccccc2)n1
InChIInChI=1S/C11H9ClN2S/c12-10-6-13-7-11(14-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyHOHVCKHYQZOUPV-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.42
Rot. Bonds3

About 2-benzylsulfanyl-6-chloropyrazine

2-benzylsulfanyl-6-chloropyrazine (PubChem CID 43213383) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 2-benzylsulfanyl-6-chloropyrazine.

Molecular Properties

Compound Name2-benzylsulfanyl-6-chloropyrazine
PubChem CID43213383
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name2-benzylsulfanyl-6-chloropyrazine
SMILESClc1cncc(SCc2ccccc2)n1
InChIInChI=1S/C11H9ClN2S/c12-10-6-13-7-11(14-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyHOHVCKHYQZOUPV-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-6-chloropyrazine?
The IUPAC name of 2-benzylsulfanyl-6-chloropyrazine (CID 43213383) is 2-benzylsulfanyl-6-chloropyrazine.
What is the SMILES notation for 2-benzylsulfanyl-6-chloropyrazine?
The canonical SMILES for 2-benzylsulfanyl-6-chloropyrazine is Clc1cncc(SCc2ccccc2)n1.
What is the InChIKey of 2-benzylsulfanyl-6-chloropyrazine?
The InChIKey is HOHVCKHYQZOUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c12-10-6-13-7-11(14-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-benzylsulfanyl-6-chloropyrazine?
2-benzylsulfanyl-6-chloropyrazine has a molecular weight of 236.73 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6-chloropyrazine is sourced from PubChem (CID 43213383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).